<![CDATA[Multiwfn forum / runall.bat script problem]]> http://sobereva.com/wfnbbs/viewtopic.php?id=232 Fri, 01 Nov 2019 12:05:11 +0000 FluxBB <![CDATA[Re: runall.bat script problem]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=724#p724 Dea Professor Tian Lu,

Solved Problem, thank you very much Professor.


Sincerely,
Anas Ouled aitouna

]]> Fri, 01 Nov 2019 12:05:11 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=724#p724 <![CDATA[Re: runall.bat script problem]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=720#p720 IRCsplit generates a batch of Gaussian input files. If you have selected proper option in IRCsplit, you will find each .gjf has a different %chk section, therefore if run all of the .gjf files, a batch of .chk files will be generated. So, please check if the %chk line indeed exists in your .gjf files.

]]> Thu, 31 Oct 2019 22:01:00 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=720#p720 <![CDATA[runall.bat script problem]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=719#p719 Dea Professor Tian Lu,

I used your wonderful program IRCsplit, but the script runall.bat doesn't give me the chk files, it gave .out files.
I don't know how to correct it.


Sincerely,
Anas Ouled aitouna

]]> Thu, 31 Oct 2019 12:34:13 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=719#p719